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937605-30-6,MFCD00246035
Catalog No.:AA00J00I

937605-30-6 | 4-[(4-phenyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl)methoxy]benzoic acid

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Technical Information
Catalog Number:
AA00J00I
Chemical Name:
4-[(4-phenyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl)methoxy]benzoic acid
CAS Number:
937605-30-6
Molecular Formula:
C16H13N3O3S
Molecular Weight:
327.3577
MDL Number:
MFCD00246035
SMILES:
OC(=O)c1ccc(cc1)OCc1n[nH]c(=S)n1c1ccccc1
Properties
Computed Properties
 
Complexity:
483  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
5  
XLogP3:
2.8  

Literature
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Additional Info:
SDS
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Tags:937605-30-6 Molecular Formula|937605-30-6 MDL|937605-30-6 SMILES|937605-30-6 4-[(4-phenyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl)methoxy]benzoic acid